[3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 3-ethyl-2-oxidanyl-2-phenyl-pentanoate

Systemtic Name: [3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 3-ethyl-2-oxidanyl-2-phenyl-pentanoate Openeye Name: (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 3-ethyl-2-hydroxy-2-phenyl-pentanoate CAS Name: 3-ethyl-2-hydroxy-2-phenylpentanoic acid [3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl ester IUPAC Name: (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 3-ethyl-2-hydroxy-2-phenylpentanoate Traditional Name: 3-ethyl-2-hydroxy-2-phenyl-valeric acid (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=CC=C1)(C(=O)OCC2C3C2CN(C3)CC4=CC=CC=C4)O

Isomeric SMILES

CCC(CC)C(C1=CC=CC=C1)(C(=O)OCC2C3C2CN(C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H33NO3/c1-3-20(4-2)26(29,21-13-9-6-10-14-21)25(28)30-18-24-22-16-27(17-23(22)24)15-19-11-7-5-8-12-19/h5-14,20,22-24,29H,3-4,15-18H2,1-2H3